N-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]-6-pyridin-1-ium-1-yl-hexanamide bromide

Systemtic Name: N-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]-6-pyridin-1-ium-1-yl-hexanamide bromide Openeye Name: N-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-6-pyridin-1-ium-1-yl-hexanamide bromide CAS Name: N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-6-(1-pyridin-1-iumyl)hexanamide bromide IUPAC Name: N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-6-pyridin-1-ium-1-ylhexanamide bromide Traditional Name: N-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-6-pyridin-1-ium-1-yl-hexanamide bromide Formula: C20H27BrN2O2 MolecularWeight: 407.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)NC(=O)CCCCC[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O)NC(=O)CCCCC[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C20H26N2O2.BrH/c1-17(20(24)18-11-5-2-6-12-18)21-19(23)13-7-3-8-14-22-15-9-4-10-16-22;/h2,4-6,9-12,15-17,20,24H,3,7-8,13-14H2,1H3;1H/t17-,20-;/m0./s1